USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -93:sc= 0.955 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 84:sc= 0.816 USER MOD Single : A 16 ASN : amide:sc= 0.0189 K(o=0.019,f=-2.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 23 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 46 SER OG : rot -73:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -95:sc= 1.91 USER MOD Single : A 53 ASN : amide:sc= -0.208 K(o=-0.21,f=-0.82) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.131 USER MOD Single : A 59 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.099 -4.834 -13.641 1.00 1.00 N ATOM 2 CA ALA A 1 -0.989 -4.342 -12.244 1.00 1.00 C ATOM 3 C ALA A 1 -2.100 -3.343 -11.927 1.00 1.00 C ATOM 4 O ALA A 1 -2.101 -2.228 -12.449 1.00 1.00 O ATOM 5 CB ALA A 1 0.370 -3.698 -12.019 1.00 1.00 C ATOM 0 H1 ALA A 1 -0.333 -5.511 -13.832 1.00 1.00 H new ATOM 0 H2 ALA A 1 -2.017 -5.304 -13.772 1.00 1.00 H new ATOM 0 H3 ALA A 1 -1.024 -4.032 -14.299 1.00 1.00 H new ATOM 0 HA ALA A 1 -1.095 -5.196 -11.575 1.00 1.00 H new ATOM 0 HB1 ALA A 1 0.438 -3.341 -10.991 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.155 -4.432 -12.201 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.492 -2.858 -12.703 1.00 1.00 H new ATOM 11 N PRO A 2 -3.037 -3.677 -11.065 1.00 1.00 N ATOM 12 CA PRO A 2 -4.174 -2.853 -10.618 1.00 1.00 C ATOM 13 C PRO A 2 -3.693 -1.821 -9.618 1.00 1.00 C ATOM 14 O PRO A 2 -2.532 -1.808 -9.206 1.00 1.00 O ATOM 15 CB PRO A 2 -5.084 -3.891 -9.938 1.00 1.00 C ATOM 16 CG PRO A 2 -4.147 -4.827 -9.305 1.00 1.00 C ATOM 17 CD PRO A 2 -2.964 -4.899 -10.245 1.00 1.00 C ATOM 0 HA PRO A 2 -4.671 -2.301 -11.416 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -5.740 -3.425 -9.203 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -5.724 -4.396 -10.662 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -3.845 -4.476 -8.318 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.602 -5.808 -9.169 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -2.026 -4.945 -9.692 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.011 -5.793 -10.867 1.00 1.00 H new ATOM 25 N TRP A 3 -4.575 -0.903 -9.281 1.00 1.00 N ATOM 26 CA TRP A 3 -4.379 0.039 -8.189 1.00 1.00 C ATOM 27 C TRP A 3 -5.403 -0.231 -7.086 1.00 1.00 C ATOM 28 O TRP A 3 -6.381 -0.938 -7.275 1.00 1.00 O ATOM 29 CB TRP A 3 -4.450 1.484 -8.682 1.00 1.00 C ATOM 30 CG TRP A 3 -5.745 1.904 -9.342 1.00 1.00 C ATOM 31 CD1 TRP A 3 -6.035 1.853 -10.673 1.00 1.00 C ATOM 32 CD2 TRP A 3 -6.882 2.487 -8.713 1.00 1.00 C ATOM 33 NE1 TRP A 3 -7.285 2.359 -10.898 1.00 1.00 N ATOM 34 CE2 TRP A 3 -7.824 2.770 -9.718 1.00 1.00 C ATOM 35 CE3 TRP A 3 -7.185 2.841 -7.403 1.00 1.00 C ATOM 36 CZ2 TRP A 3 -9.071 3.341 -9.442 1.00 1.00 C ATOM 37 CZ3 TRP A 3 -8.412 3.416 -7.145 1.00 1.00 C ATOM 38 CH2 TRP A 3 -9.333 3.653 -8.158 1.00 1.00 C ATOM 0 H TRP A 3 -5.465 -0.785 -9.764 1.00 1.00 H new ATOM 0 HA TRP A 3 -3.380 -0.104 -7.776 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -4.268 2.144 -7.834 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -3.637 1.644 -9.390 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -5.375 1.470 -11.437 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -7.742 2.419 -11.808 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.476 2.670 -6.606 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -9.792 3.524 -10.225 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -8.663 3.689 -6.131 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -10.284 4.099 -7.909 1.00 1.00 H new ATOM 49 N ALA A 4 -5.147 0.344 -5.927 1.00 1.00 N ATOM 50 CA ALA A 4 -5.972 0.142 -4.759 1.00 1.00 C ATOM 51 C ALA A 4 -6.083 1.406 -3.932 1.00 1.00 C ATOM 52 O ALA A 4 -5.292 2.340 -4.078 1.00 1.00 O ATOM 53 CB ALA A 4 -5.359 -0.971 -3.903 1.00 1.00 C ATOM 0 H ALA A 4 -4.355 0.968 -5.772 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.973 -0.134 -5.089 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.975 -1.131 -3.018 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.312 -1.892 -4.484 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -4.353 -0.683 -3.597 1.00 1.00 H new ATOM 59 N THR A 5 -7.061 1.415 -3.044 1.00 1.00 N ATOM 60 CA THR A 5 -7.309 2.526 -2.133 1.00 1.00 C ATOM 61 C THR A 5 -7.074 2.034 -0.710 1.00 1.00 C ATOM 62 O THR A 5 -7.539 0.962 -0.330 1.00 1.00 O ATOM 63 CB THR A 5 -8.757 3.028 -2.263 1.00 1.00 C ATOM 64 OG1 THR A 5 -9.639 1.898 -2.233 1.00 1.00 O ATOM 65 CG2 THR A 5 -8.974 3.721 -3.588 1.00 1.00 C ATOM 0 H THR A 5 -7.716 0.642 -2.931 1.00 1.00 H new ATOM 0 HA THR A 5 -6.639 3.350 -2.377 1.00 1.00 H new ATOM 0 HB THR A 5 -8.951 3.723 -1.446 1.00 1.00 H new ATOM 0 HG1 THR A 5 -9.822 1.602 -3.149 1.00 1.00 H new ATOM 0 HG21 THR A 5 -10.006 4.066 -3.654 1.00 1.00 H new ATOM 0 HG22 THR A 5 -8.300 4.574 -3.667 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.772 3.023 -4.401 1.00 1.00 H new ATOM 73 N ALA A 6 -6.303 2.790 0.058 1.00 1.00 N ATOM 74 CA ALA A 6 -6.020 2.408 1.428 1.00 1.00 C ATOM 75 C ALA A 6 -7.286 2.446 2.262 1.00 1.00 C ATOM 76 O ALA A 6 -8.094 3.376 2.181 1.00 1.00 O ATOM 77 CB ALA A 6 -4.996 3.364 2.019 1.00 1.00 C ATOM 0 H ALA A 6 -5.868 3.662 -0.243 1.00 1.00 H new ATOM 0 HA ALA A 6 -5.625 1.392 1.435 1.00 1.00 H new ATOM 0 HB1 ALA A 6 -4.783 3.078 3.049 1.00 1.00 H new ATOM 0 HB2 ALA A 6 -4.078 3.322 1.433 1.00 1.00 H new ATOM 0 HB3 ALA A 6 -5.392 4.379 1.999 1.00 1.00 H new ATOM 83 N GLU A 7 -7.449 1.421 3.086 1.00 1.00 N ATOM 84 CA GLU A 7 -8.612 1.343 3.967 1.00 1.00 C ATOM 85 C GLU A 7 -8.265 1.755 5.389 1.00 1.00 C ATOM 86 O GLU A 7 -9.153 2.188 6.131 1.00 1.00 O ATOM 87 CB GLU A 7 -9.112 -0.087 3.993 1.00 1.00 C ATOM 88 CG GLU A 7 -9.604 -0.603 2.654 1.00 1.00 C ATOM 89 CD GLU A 7 -10.778 0.199 2.125 1.00 1.00 C ATOM 90 OE1 GLU A 7 -11.780 0.364 2.866 1.00 1.00 O ATOM 91 OE2 GLU A 7 -10.714 0.643 0.960 1.00 1.00 O ATOM 0 H GLU A 7 -6.800 0.638 3.165 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.373 2.022 3.584 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -8.308 -0.734 4.345 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -9.922 -0.163 4.718 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -8.788 -0.569 1.932 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -9.897 -1.648 2.755 1.00 1.00 H new ATOM 98 N TYR A 8 -6.996 1.615 5.773 1.00 1.00 N ATOM 99 CA TYR A 8 -6.531 1.951 7.116 1.00 1.00 C ATOM 100 C TYR A 8 -5.186 2.621 6.956 1.00 1.00 C ATOM 101 O TYR A 8 -4.461 2.317 6.008 1.00 1.00 O ATOM 102 CB TYR A 8 -6.374 0.691 7.990 1.00 1.00 C ATOM 103 CG TYR A 8 -7.660 -0.078 8.158 1.00 1.00 C ATOM 104 CD1 TYR A 8 -8.008 -1.023 7.218 1.00 1.00 C ATOM 105 CD2 TYR A 8 -8.476 0.074 9.274 1.00 1.00 C ATOM 106 CE1 TYR A 8 -9.164 -1.775 7.324 1.00 1.00 C ATOM 107 CE2 TYR A 8 -9.644 -0.699 9.406 1.00 1.00 C ATOM 108 CZ TYR A 8 -9.956 -1.626 8.422 1.00 1.00 C ATOM 109 OH TYR A 8 -11.111 -2.394 8.505 1.00 1.00 O ATOM 0 H TYR A 8 -6.261 1.264 5.159 1.00 1.00 H new ATOM 0 HA TYR A 8 -7.255 2.600 7.609 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.623 0.038 7.544 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -6.001 0.982 8.972 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -7.357 -1.182 6.371 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -8.212 0.787 10.041 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -9.435 -2.472 6.545 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -10.290 -0.572 10.262 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.581 -2.188 9.340 1.00 1.00 H new ATOM 119 N ASP A 9 -4.817 3.472 7.895 1.00 1.00 N ATOM 120 CA ASP A 9 -3.516 4.115 7.879 1.00 1.00 C ATOM 121 C ASP A 9 -2.441 3.066 8.162 1.00 1.00 C ATOM 122 O ASP A 9 -2.586 2.292 9.121 1.00 1.00 O ATOM 123 CB ASP A 9 -3.369 5.168 9.000 1.00 1.00 C ATOM 124 CG ASP A 9 -2.061 5.903 9.029 1.00 1.00 C ATOM 125 OD1 ASP A 9 -1.123 5.619 8.264 1.00 1.00 O ATOM 126 OD2 ASP A 9 -1.933 6.838 9.856 1.00 1.00 O ATOM 0 H ASP A 9 -5.406 3.736 8.685 1.00 1.00 H new ATOM 0 HA ASP A 9 -3.412 4.589 6.903 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -4.173 5.897 8.898 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -3.509 4.672 9.961 1.00 1.00 H new ATOM 131 N TYR A 10 -1.365 3.056 7.384 1.00 1.00 N ATOM 132 CA TYR A 10 -0.258 2.130 7.603 1.00 1.00 C ATOM 133 C TYR A 10 1.015 2.935 7.628 1.00 1.00 C ATOM 134 O TYR A 10 1.330 3.652 6.668 1.00 1.00 O ATOM 135 CB TYR A 10 -0.135 1.031 6.540 1.00 1.00 C ATOM 136 CG TYR A 10 1.120 0.226 6.777 1.00 1.00 C ATOM 137 CD1 TYR A 10 1.203 -0.724 7.782 1.00 1.00 C ATOM 138 CD2 TYR A 10 2.195 0.342 5.920 1.00 1.00 C ATOM 139 CE1 TYR A 10 2.335 -1.505 7.928 1.00 1.00 C ATOM 140 CE2 TYR A 10 3.312 -0.437 6.045 1.00 1.00 C ATOM 141 CZ TYR A 10 3.371 -1.365 7.059 1.00 1.00 C ATOM 142 OH TYR A 10 4.512 -2.149 7.144 1.00 1.00 O ATOM 0 H TYR A 10 -1.235 3.683 6.590 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.448 1.615 8.545 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.008 0.379 6.575 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.110 1.476 5.545 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.373 -0.856 8.460 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.153 1.072 5.125 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.396 -2.225 8.731 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.137 -0.325 5.357 1.00 1.00 H new ATOM 0 HH TYR A 10 4.361 -2.998 6.677 1.00 1.00 H new ATOM 152 N ASP A 11 1.715 2.841 8.746 1.00 1.00 N ATOM 153 CA ASP A 11 2.967 3.551 8.920 1.00 1.00 C ATOM 154 C ASP A 11 4.146 2.616 8.710 1.00 1.00 C ATOM 155 O ASP A 11 4.294 1.633 9.445 1.00 1.00 O ATOM 156 CB ASP A 11 3.061 4.108 10.338 1.00 1.00 C ATOM 157 CG ASP A 11 2.123 5.262 10.591 1.00 1.00 C ATOM 158 OD1 ASP A 11 1.473 5.786 9.659 1.00 1.00 O ATOM 159 OD2 ASP A 11 1.949 5.669 11.744 1.00 1.00 O ATOM 0 H ASP A 11 1.435 2.277 9.548 1.00 1.00 H new ATOM 0 HA ASP A 11 2.995 4.358 8.188 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.844 3.311 11.049 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.084 4.433 10.526 1.00 1.00 H new ATOM 164 N ALA A 12 4.995 2.910 7.745 1.00 1.00 N ATOM 165 CA ALA A 12 6.148 2.057 7.533 1.00 1.00 C ATOM 166 C ALA A 12 7.026 2.015 8.770 1.00 1.00 C ATOM 167 O ALA A 12 7.371 3.035 9.344 1.00 1.00 O ATOM 168 CB ALA A 12 6.978 2.575 6.384 1.00 1.00 C ATOM 0 H ALA A 12 4.914 3.707 7.113 1.00 1.00 H new ATOM 0 HA ALA A 12 5.779 1.056 7.311 1.00 1.00 H new ATOM 0 HB1 ALA A 12 7.840 1.925 6.236 1.00 1.00 H new ATOM 0 HB2 ALA A 12 6.374 2.589 5.477 1.00 1.00 H new ATOM 0 HB3 ALA A 12 7.320 3.585 6.608 1.00 1.00 H new ATOM 174 N ALA A 13 7.458 0.810 9.113 1.00 1.00 N ATOM 175 CA ALA A 13 8.376 0.595 10.219 1.00 1.00 C ATOM 176 C ALA A 13 9.752 0.223 9.696 1.00 1.00 C ATOM 177 O ALA A 13 10.669 0.002 10.477 1.00 1.00 O ATOM 178 CB ALA A 13 7.858 -0.505 11.148 1.00 1.00 C ATOM 0 H ALA A 13 7.181 -0.045 8.631 1.00 1.00 H new ATOM 0 HA ALA A 13 8.449 1.523 10.786 1.00 1.00 H new ATOM 0 HB1 ALA A 13 8.561 -0.649 11.969 1.00 1.00 H new ATOM 0 HB2 ALA A 13 6.887 -0.215 11.549 1.00 1.00 H new ATOM 0 HB3 ALA A 13 7.757 -1.435 10.589 1.00 1.00 H new ATOM 184 N GLU A 14 9.902 0.099 8.381 1.00 1.00 N ATOM 185 CA GLU A 14 11.170 -0.286 7.777 1.00 1.00 C ATOM 186 C GLU A 14 11.410 0.597 6.574 1.00 1.00 C ATOM 187 O GLU A 14 10.466 1.182 6.029 1.00 1.00 O ATOM 188 CB GLU A 14 11.184 -1.758 7.321 1.00 1.00 C ATOM 189 CG GLU A 14 11.137 -2.788 8.418 1.00 1.00 C ATOM 190 CD GLU A 14 11.073 -4.232 7.923 1.00 1.00 C ATOM 191 OE1 GLU A 14 11.145 -4.423 6.694 1.00 1.00 O ATOM 192 OE2 GLU A 14 10.973 -5.154 8.759 1.00 1.00 O ATOM 0 H GLU A 14 9.152 0.262 7.709 1.00 1.00 H new ATOM 0 HA GLU A 14 11.950 -0.168 8.529 1.00 1.00 H new ATOM 0 HB2 GLU A 14 10.333 -1.921 6.660 1.00 1.00 H new ATOM 0 HB3 GLU A 14 12.084 -1.926 6.730 1.00 1.00 H new ATOM 0 HG2 GLU A 14 12.019 -2.671 9.048 1.00 1.00 H new ATOM 0 HG3 GLU A 14 10.268 -2.593 9.046 1.00 1.00 H new ATOM 199 N ASP A 15 12.644 0.619 6.075 1.00 1.00 N ATOM 200 CA ASP A 15 12.981 1.417 4.909 1.00 1.00 C ATOM 201 C ASP A 15 12.289 0.968 3.636 1.00 1.00 C ATOM 202 O ASP A 15 11.943 1.802 2.816 1.00 1.00 O ATOM 203 CB ASP A 15 14.482 1.406 4.657 1.00 1.00 C ATOM 204 CG ASP A 15 15.210 2.441 5.461 1.00 1.00 C ATOM 205 OD1 ASP A 15 14.939 3.651 5.340 1.00 1.00 O ATOM 206 OD2 ASP A 15 16.056 2.101 6.323 1.00 1.00 O ATOM 0 H ASP A 15 13.425 0.091 6.464 1.00 1.00 H new ATOM 0 HA ASP A 15 12.630 2.421 5.147 1.00 1.00 H new ATOM 0 HB2 ASP A 15 14.879 0.420 4.896 1.00 1.00 H new ATOM 0 HB3 ASP A 15 14.670 1.577 3.597 1.00 1.00 H new ATOM 211 N ASN A 16 12.070 -0.340 3.493 1.00 1.00 N ATOM 212 CA ASN A 16 11.416 -0.875 2.294 1.00 1.00 C ATOM 213 C ASN A 16 9.887 -0.873 2.351 1.00 1.00 C ATOM 214 O ASN A 16 9.247 -1.292 1.392 1.00 1.00 O ATOM 215 CB ASN A 16 11.946 -2.289 1.970 1.00 1.00 C ATOM 216 CG ASN A 16 11.547 -3.317 2.992 1.00 1.00 C ATOM 217 OD1 ASN A 16 11.205 -3.013 4.101 1.00 1.00 O ATOM 218 ND2 ASN A 16 11.586 -4.592 2.590 1.00 1.00 N ATOM 0 H ASN A 16 12.332 -1.043 4.184 1.00 1.00 H new ATOM 0 HA ASN A 16 11.679 -0.189 1.489 1.00 1.00 H new ATOM 0 HB2 ASN A 16 11.574 -2.594 0.992 1.00 1.00 H new ATOM 0 HB3 ASN A 16 13.033 -2.256 1.902 1.00 1.00 H new ATOM 0 HD21 ASN A 16 11.320 -5.338 3.233 1.00 1.00 H new ATOM 0 HD22 ASN A 16 11.881 -4.819 1.640 1.00 1.00 H new ATOM 225 N GLU A 17 9.308 -0.353 3.437 1.00 1.00 N ATOM 226 CA GLU A 17 7.858 -0.308 3.599 1.00 1.00 C ATOM 227 C GLU A 17 7.282 1.053 3.275 1.00 1.00 C ATOM 228 O GLU A 17 7.844 2.092 3.639 1.00 1.00 O ATOM 229 CB GLU A 17 7.493 -0.652 5.043 1.00 1.00 C ATOM 230 CG GLU A 17 7.834 -2.087 5.377 1.00 1.00 C ATOM 231 CD GLU A 17 7.027 -3.107 4.622 1.00 1.00 C ATOM 232 OE1 GLU A 17 5.929 -2.750 4.140 1.00 1.00 O ATOM 233 OE2 GLU A 17 7.479 -4.263 4.520 1.00 1.00 O ATOM 0 H GLU A 17 9.828 0.044 4.220 1.00 1.00 H new ATOM 0 HA GLU A 17 7.437 -1.032 2.902 1.00 1.00 H new ATOM 0 HB2 GLU A 17 8.023 0.016 5.722 1.00 1.00 H new ATOM 0 HB3 GLU A 17 6.427 -0.485 5.199 1.00 1.00 H new ATOM 0 HG2 GLU A 17 8.892 -2.254 5.172 1.00 1.00 H new ATOM 0 HG3 GLU A 17 7.687 -2.244 6.446 1.00 1.00 H new ATOM 240 N LEU A 18 6.151 1.054 2.563 1.00 1.00 N ATOM 241 CA LEU A 18 5.439 2.285 2.231 1.00 1.00 C ATOM 242 C LEU A 18 4.680 2.801 3.441 1.00 1.00 C ATOM 243 O LEU A 18 4.177 2.034 4.267 1.00 1.00 O ATOM 244 CB LEU A 18 4.399 2.020 1.148 1.00 1.00 C ATOM 245 CG LEU A 18 4.890 1.680 -0.252 1.00 1.00 C ATOM 246 CD1 LEU A 18 3.749 1.254 -1.166 1.00 1.00 C ATOM 247 CD2 LEU A 18 5.566 2.883 -0.818 1.00 1.00 C ATOM 0 H LEU A 18 5.709 0.208 2.205 1.00 1.00 H new ATOM 0 HA LEU A 18 6.182 3.009 1.895 1.00 1.00 H new ATOM 0 HB2 LEU A 18 3.766 1.200 1.487 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.764 2.903 1.073 1.00 1.00 H new ATOM 0 HG LEU A 18 5.582 0.841 -0.185 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.143 1.020 -2.155 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.261 0.372 -0.752 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.025 2.065 -1.246 1.00 1.00 H new ATOM 0 HD21 LEU A 18 5.926 2.659 -1.822 1.00 1.00 H new ATOM 0 HD22 LEU A 18 4.859 3.711 -0.862 1.00 1.00 H new ATOM 0 HD23 LEU A 18 6.409 3.159 -0.184 1.00 1.00 H new ATOM 259 N THR A 19 4.587 4.110 3.513 1.00 1.00 N ATOM 260 CA THR A 19 3.841 4.840 4.524 1.00 1.00 C ATOM 261 C THR A 19 2.715 5.549 3.782 1.00 1.00 C ATOM 262 O THR A 19 2.978 6.241 2.812 1.00 1.00 O ATOM 263 CB THR A 19 4.734 5.878 5.223 1.00 1.00 C ATOM 264 OG1 THR A 19 5.833 5.204 5.830 1.00 1.00 O ATOM 265 CG2 THR A 19 3.997 6.626 6.341 1.00 1.00 C ATOM 0 H THR A 19 5.047 4.725 2.842 1.00 1.00 H new ATOM 0 HA THR A 19 3.466 4.165 5.294 1.00 1.00 H new ATOM 0 HB THR A 19 5.049 6.594 4.464 1.00 1.00 H new ATOM 0 HG1 THR A 19 6.410 5.857 6.278 1.00 1.00 H new ATOM 0 HG21 THR A 19 4.672 7.347 6.802 1.00 1.00 H new ATOM 0 HG22 THR A 19 3.137 7.149 5.923 1.00 1.00 H new ATOM 0 HG23 THR A 19 3.658 5.914 7.093 1.00 1.00 H new ATOM 273 N PHE A 20 1.477 5.364 4.239 1.00 1.00 N ATOM 274 CA PHE A 20 0.344 5.994 3.596 1.00 1.00 C ATOM 275 C PHE A 20 -0.775 6.171 4.582 1.00 1.00 C ATOM 276 O PHE A 20 -0.718 5.616 5.670 1.00 1.00 O ATOM 277 CB PHE A 20 -0.096 5.222 2.352 1.00 1.00 C ATOM 278 CG PHE A 20 -0.394 3.760 2.576 1.00 1.00 C ATOM 279 CD1 PHE A 20 -1.574 3.330 3.169 1.00 1.00 C ATOM 280 CD2 PHE A 20 0.489 2.803 2.115 1.00 1.00 C ATOM 281 CE1 PHE A 20 -1.845 1.986 3.309 1.00 1.00 C ATOM 282 CE2 PHE A 20 0.215 1.456 2.253 1.00 1.00 C ATOM 283 CZ PHE A 20 -0.946 1.052 2.860 1.00 1.00 C ATOM 0 H PHE A 20 1.243 4.786 5.046 1.00 1.00 H new ATOM 0 HA PHE A 20 0.645 6.983 3.251 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.987 5.700 1.944 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.685 5.306 1.597 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.288 4.058 3.525 1.00 1.00 H new ATOM 0 HD2 PHE A 20 1.408 3.113 1.639 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -2.767 1.667 3.773 1.00 1.00 H new ATOM 0 HE2 PHE A 20 0.915 0.722 1.883 1.00 1.00 H new ATOM 0 HZ PHE A 20 -1.153 -0.001 2.985 1.00 1.00 H new ATOM 293 N VAL A 21 -1.797 6.933 4.194 1.00 1.00 N ATOM 294 CA VAL A 21 -2.966 7.141 5.033 1.00 1.00 C ATOM 295 C VAL A 21 -4.210 6.653 4.315 1.00 1.00 C ATOM 296 O VAL A 21 -4.214 6.497 3.097 1.00 1.00 O ATOM 297 CB VAL A 21 -3.130 8.621 5.457 1.00 1.00 C ATOM 298 CG1 VAL A 21 -2.000 9.019 6.396 1.00 1.00 C ATOM 299 CG2 VAL A 21 -3.193 9.531 4.252 1.00 1.00 C ATOM 0 H VAL A 21 -1.834 7.417 3.297 1.00 1.00 H new ATOM 0 HA VAL A 21 -2.823 6.563 5.946 1.00 1.00 H new ATOM 0 HB VAL A 21 -4.075 8.729 5.989 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -2.122 10.061 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -2.024 8.386 7.283 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -1.044 8.895 5.888 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -3.308 10.564 4.581 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -2.273 9.435 3.675 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -4.043 9.252 3.629 1.00 1.00 H new ATOM 309 N GLU A 22 -5.265 6.414 5.082 1.00 1.00 N ATOM 310 CA GLU A 22 -6.547 6.010 4.565 1.00 1.00 C ATOM 311 C GLU A 22 -6.901 6.908 3.384 1.00 1.00 C ATOM 312 O GLU A 22 -6.739 8.132 3.435 1.00 1.00 O ATOM 313 CB GLU A 22 -7.616 6.162 5.668 1.00 1.00 C ATOM 314 CG GLU A 22 -8.950 5.503 5.284 1.00 1.00 C ATOM 315 CD GLU A 22 -10.082 5.740 6.270 1.00 1.00 C ATOM 316 OE1 GLU A 22 -9.812 6.303 7.343 1.00 1.00 O ATOM 317 OE2 GLU A 22 -11.238 5.354 5.973 1.00 1.00 O ATOM 0 H GLU A 22 -5.244 6.500 6.098 1.00 1.00 H new ATOM 0 HA GLU A 22 -6.510 4.969 4.243 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -7.247 5.717 6.592 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -7.781 7.221 5.867 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.255 5.874 4.306 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -8.793 4.429 5.183 1.00 1.00 H new ATOM 324 N ASN A 23 -7.415 6.288 2.335 1.00 1.00 N ATOM 325 CA ASN A 23 -7.825 6.942 1.102 1.00 1.00 C ATOM 326 C ASN A 23 -6.737 7.274 0.116 1.00 1.00 C ATOM 327 O ASN A 23 -7.043 7.592 -1.017 1.00 1.00 O ATOM 328 CB ASN A 23 -8.748 8.109 1.337 1.00 1.00 C ATOM 329 CG ASN A 23 -10.059 7.659 1.908 1.00 1.00 C ATOM 330 OD1 ASN A 23 -10.581 6.594 1.542 1.00 1.00 O ATOM 331 ND2 ASN A 23 -10.577 8.429 2.856 1.00 1.00 N ATOM 0 H ASN A 23 -7.564 5.279 2.317 1.00 1.00 H new ATOM 0 HA ASN A 23 -8.389 6.156 0.600 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -8.276 8.817 2.018 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -8.919 8.635 0.398 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -11.443 8.154 3.320 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -10.109 9.296 3.121 1.00 1.00 H new ATOM 338 N ASP A 24 -5.479 7.124 0.493 1.00 1.00 N ATOM 339 CA ASP A 24 -4.419 7.246 -0.499 1.00 1.00 C ATOM 340 C ASP A 24 -4.522 6.088 -1.481 1.00 1.00 C ATOM 341 O ASP A 24 -4.905 4.987 -1.112 1.00 1.00 O ATOM 342 CB ASP A 24 -3.037 7.175 0.154 1.00 1.00 C ATOM 343 CG ASP A 24 -2.644 8.404 0.895 1.00 1.00 C ATOM 344 OD1 ASP A 24 -3.307 9.463 0.750 1.00 1.00 O ATOM 345 OD2 ASP A 24 -1.619 8.337 1.634 1.00 1.00 O ATOM 0 H ASP A 24 -5.170 6.924 1.444 1.00 1.00 H new ATOM 0 HA ASP A 24 -4.536 8.208 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -3.016 6.329 0.841 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -2.293 6.977 -0.618 1.00 1.00 H new ATOM 350 N LYS A 25 -4.155 6.328 -2.725 1.00 1.00 N ATOM 351 CA LYS A 25 -4.118 5.298 -3.743 1.00 1.00 C ATOM 352 C LYS A 25 -2.711 4.721 -3.909 1.00 1.00 C ATOM 353 O LYS A 25 -1.717 5.438 -3.814 1.00 1.00 O ATOM 354 CB LYS A 25 -4.609 5.850 -5.070 1.00 1.00 C ATOM 355 CG LYS A 25 -6.089 6.168 -5.058 1.00 1.00 C ATOM 356 CD LYS A 25 -6.507 6.701 -6.436 1.00 1.00 C ATOM 357 CE LYS A 25 -8.005 6.980 -6.518 1.00 1.00 C ATOM 358 NZ LYS A 25 -8.384 7.544 -7.868 1.00 1.00 N ATOM 0 H LYS A 25 -3.872 7.249 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 25 -4.778 4.493 -3.420 1.00 1.00 H new ATOM 0 HB2 LYS A 25 -4.049 6.753 -5.313 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -4.403 5.126 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -6.662 5.274 -4.812 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -6.307 6.908 -4.288 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -5.957 7.617 -6.651 1.00 1.00 H new ATOM 0 HD3 LYS A 25 -6.232 5.976 -7.202 1.00 1.00 H new ATOM 0 HE2 LYS A 25 -8.559 6.059 -6.337 1.00 1.00 H new ATOM 0 HE3 LYS A 25 -8.290 7.682 -5.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 -9.408 7.724 -7.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 -7.872 8.435 -8.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 -8.133 6.862 -8.612 1.00 1.00 H new ATOM 372 N ILE A 26 -2.647 3.411 -4.083 1.00 1.00 N ATOM 373 CA ILE A 26 -1.401 2.690 -4.299 1.00 1.00 C ATOM 374 C ILE A 26 -1.567 2.086 -5.687 1.00 1.00 C ATOM 375 O ILE A 26 -2.536 1.374 -5.949 1.00 1.00 O ATOM 376 CB ILE A 26 -1.195 1.589 -3.255 1.00 1.00 C ATOM 377 CG1 ILE A 26 -1.015 2.168 -1.871 1.00 1.00 C ATOM 378 CG2 ILE A 26 0.062 0.804 -3.626 1.00 1.00 C ATOM 379 CD1 ILE A 26 -2.269 2.480 -1.057 1.00 1.00 C ATOM 0 H ILE A 26 -3.470 2.809 -4.078 1.00 1.00 H new ATOM 0 HA ILE A 26 -0.530 3.340 -4.214 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.076 0.947 -3.245 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.407 1.472 -1.294 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.441 3.089 -1.966 1.00 1.00 H new ATOM 0 HG21 ILE A 26 0.227 0.014 -2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.063 0.362 -4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.921 1.475 -3.635 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.982 2.889 -0.088 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -2.878 3.209 -1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.844 1.566 -0.909 1.00 1.00 H new ATOM 391 N ILE A 27 -0.628 2.363 -6.574 1.00 1.00 N ATOM 392 CA ILE A 27 -0.735 1.998 -7.975 1.00 1.00 C ATOM 393 C ILE A 27 0.331 0.992 -8.386 1.00 1.00 C ATOM 394 O ILE A 27 1.315 0.755 -7.667 1.00 1.00 O ATOM 395 CB ILE A 27 -0.692 3.260 -8.884 1.00 1.00 C ATOM 396 CG1 ILE A 27 0.705 3.854 -8.952 1.00 1.00 C ATOM 397 CG2 ILE A 27 -1.699 4.302 -8.402 1.00 1.00 C ATOM 398 CD1 ILE A 27 0.812 4.959 -10.013 1.00 1.00 C ATOM 0 H ILE A 27 0.237 2.851 -6.340 1.00 1.00 H new ATOM 0 HA ILE A 27 -1.702 1.513 -8.109 1.00 1.00 H new ATOM 0 HB ILE A 27 -0.966 2.951 -9.893 1.00 1.00 H new ATOM 0 HG12 ILE A 27 0.973 4.261 -7.977 1.00 1.00 H new ATOM 0 HG13 ILE A 27 1.423 3.065 -9.177 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -1.655 5.178 -9.050 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -2.703 3.879 -8.432 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -1.459 4.594 -7.380 1.00 1.00 H new ATOM 0 HD11 ILE A 27 1.828 5.354 -10.026 1.00 1.00 H new ATOM 0 HD12 ILE A 27 0.571 4.547 -10.993 1.00 1.00 H new ATOM 0 HD13 ILE A 27 0.114 5.761 -9.775 1.00 1.00 H new ATOM 410 N ASN A 28 0.141 0.386 -9.546 1.00 1.00 N ATOM 411 CA ASN A 28 1.085 -0.589 -10.099 1.00 1.00 C ATOM 412 C ASN A 28 1.420 -1.661 -9.080 1.00 1.00 C ATOM 413 O ASN A 28 2.584 -2.002 -8.847 1.00 1.00 O ATOM 414 CB ASN A 28 2.351 0.072 -10.609 1.00 1.00 C ATOM 415 CG ASN A 28 2.068 1.079 -11.728 1.00 1.00 C ATOM 416 OD1 ASN A 28 1.192 0.852 -12.559 1.00 1.00 O ATOM 417 ND2 ASN A 28 2.692 2.253 -11.653 1.00 1.00 N ATOM 0 H ASN A 28 -0.673 0.552 -10.138 1.00 1.00 H new ATOM 0 HA ASN A 28 0.594 -1.060 -10.950 1.00 1.00 H new ATOM 0 HB2 ASN A 28 2.852 0.579 -9.784 1.00 1.00 H new ATOM 0 HB3 ASN A 28 3.036 -0.693 -10.975 1.00 1.00 H new ATOM 0 HD21 ASN A 28 2.448 3.003 -12.300 1.00 1.00 H new ATOM 0 HD22 ASN A 28 3.414 2.403 -10.949 1.00 1.00 H new ATOM 424 N ILE A 29 0.385 -2.244 -8.508 1.00 1.00 N ATOM 425 CA ILE A 29 0.586 -3.280 -7.520 1.00 1.00 C ATOM 426 C ILE A 29 1.065 -4.567 -8.174 1.00 1.00 C ATOM 427 O ILE A 29 0.510 -5.027 -9.169 1.00 1.00 O ATOM 428 CB ILE A 29 -0.701 -3.503 -6.733 1.00 1.00 C ATOM 429 CG1 ILE A 29 -0.997 -2.227 -5.952 1.00 1.00 C ATOM 430 CG2 ILE A 29 -0.608 -4.714 -5.797 1.00 1.00 C ATOM 431 CD1 ILE A 29 -2.365 -2.142 -5.352 1.00 1.00 C ATOM 0 H ILE A 29 -0.590 -2.021 -8.708 1.00 1.00 H new ATOM 0 HA ILE A 29 1.363 -2.959 -6.826 1.00 1.00 H new ATOM 0 HB ILE A 29 -1.513 -3.724 -7.426 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -0.262 -2.132 -5.153 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -0.857 -1.374 -6.616 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -1.549 -4.831 -5.259 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -0.411 -5.612 -6.382 1.00 1.00 H new ATOM 0 HG23 ILE A 29 0.202 -4.561 -5.083 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -2.471 -1.197 -4.820 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -3.113 -2.199 -6.143 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -2.509 -2.968 -4.656 1.00 1.00 H new ATOM 443 N GLU A 30 2.120 -5.117 -7.592 1.00 1.00 N ATOM 444 CA GLU A 30 2.739 -6.344 -8.039 1.00 1.00 C ATOM 445 C GLU A 30 2.499 -7.382 -6.959 1.00 1.00 C ATOM 446 O GLU A 30 2.643 -7.106 -5.766 1.00 1.00 O ATOM 447 CB GLU A 30 4.227 -6.104 -8.342 1.00 1.00 C ATOM 448 CG GLU A 30 4.339 -5.159 -9.545 1.00 1.00 C ATOM 449 CD GLU A 30 5.738 -4.677 -9.937 1.00 1.00 C ATOM 450 OE1 GLU A 30 6.690 -5.081 -9.251 1.00 1.00 O ATOM 451 OE2 GLU A 30 5.895 -3.817 -10.830 1.00 1.00 O ATOM 0 H GLU A 30 2.576 -4.708 -6.776 1.00 1.00 H new ATOM 0 HA GLU A 30 2.307 -6.707 -8.972 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.724 -5.671 -7.474 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.726 -7.049 -8.556 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.902 -5.660 -10.408 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.726 -4.281 -9.342 1.00 1.00 H new ATOM 458 N PHE A 31 2.091 -8.575 -7.382 1.00 1.00 N ATOM 459 CA PHE A 31 1.744 -9.652 -6.469 1.00 1.00 C ATOM 460 C PHE A 31 3.018 -10.305 -5.957 1.00 1.00 C ATOM 461 O PHE A 31 3.287 -11.478 -6.205 1.00 1.00 O ATOM 462 CB PHE A 31 0.828 -10.646 -7.189 1.00 1.00 C ATOM 463 CG PHE A 31 -0.531 -10.070 -7.502 1.00 1.00 C ATOM 464 CD1 PHE A 31 -1.555 -10.188 -6.606 1.00 1.00 C ATOM 465 CD2 PHE A 31 -0.785 -9.451 -8.708 1.00 1.00 C ATOM 466 CE1 PHE A 31 -2.829 -9.666 -6.884 1.00 1.00 C ATOM 467 CE2 PHE A 31 -2.033 -8.935 -8.980 1.00 1.00 C ATOM 468 CZ PHE A 31 -3.048 -9.051 -8.079 1.00 1.00 C ATOM 0 H PHE A 31 1.993 -8.819 -8.367 1.00 1.00 H new ATOM 0 HA PHE A 31 1.201 -9.269 -5.605 1.00 1.00 H new ATOM 0 HB2 PHE A 31 1.304 -10.966 -8.116 1.00 1.00 H new ATOM 0 HB3 PHE A 31 0.707 -11.535 -6.570 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -1.382 -10.692 -5.667 1.00 1.00 H new ATOM 0 HD2 PHE A 31 0.001 -9.370 -9.445 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -3.625 -9.751 -6.159 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -2.209 -8.432 -9.919 1.00 1.00 H new ATOM 0 HZ PHE A 31 -4.026 -8.656 -8.312 1.00 1.00 H new ATOM 478 N VAL A 32 3.771 -9.566 -5.161 1.00 1.00 N ATOM 479 CA VAL A 32 5.023 -10.083 -4.611 1.00 1.00 C ATOM 480 C VAL A 32 4.842 -11.243 -3.658 1.00 1.00 C ATOM 481 O VAL A 32 5.556 -12.220 -3.774 1.00 1.00 O ATOM 482 CB VAL A 32 5.849 -8.977 -3.904 1.00 1.00 C ATOM 483 CG1 VAL A 32 7.089 -9.568 -3.250 1.00 1.00 C ATOM 484 CG2 VAL A 32 6.219 -7.862 -4.861 1.00 1.00 C ATOM 0 H VAL A 32 3.544 -8.612 -4.880 1.00 1.00 H new ATOM 0 HA VAL A 32 5.567 -10.450 -5.481 1.00 1.00 H new ATOM 0 HB VAL A 32 5.224 -8.543 -3.124 1.00 1.00 H new ATOM 0 HG11 VAL A 32 7.654 -8.776 -2.760 1.00 1.00 H new ATOM 0 HG12 VAL A 32 6.791 -10.312 -2.511 1.00 1.00 H new ATOM 0 HG13 VAL A 32 7.711 -10.041 -4.010 1.00 1.00 H new ATOM 0 HG21 VAL A 32 6.797 -7.105 -4.331 1.00 1.00 H new ATOM 0 HG22 VAL A 32 6.815 -8.267 -5.679 1.00 1.00 H new ATOM 0 HG23 VAL A 32 5.312 -7.411 -5.262 1.00 1.00 H new ATOM 494 N ASP A 33 3.878 -11.154 -2.752 1.00 1.00 N ATOM 495 CA ASP A 33 3.586 -12.207 -1.787 1.00 1.00 C ATOM 496 C ASP A 33 2.069 -12.231 -1.609 1.00 1.00 C ATOM 497 O ASP A 33 1.399 -11.279 -1.977 1.00 1.00 O ATOM 498 CB ASP A 33 4.322 -11.889 -0.481 1.00 1.00 C ATOM 499 CG ASP A 33 4.004 -12.858 0.617 1.00 1.00 C ATOM 500 OD1 ASP A 33 4.482 -14.027 0.619 1.00 1.00 O ATOM 501 OD2 ASP A 33 3.235 -12.472 1.535 1.00 1.00 O ATOM 0 H ASP A 33 3.270 -10.340 -2.665 1.00 1.00 H new ATOM 0 HA ASP A 33 3.922 -13.190 -2.117 1.00 1.00 H new ATOM 0 HB2 ASP A 33 5.396 -11.895 -0.664 1.00 1.00 H new ATOM 0 HB3 ASP A 33 4.059 -10.882 -0.158 1.00 1.00 H new ATOM 506 N ASP A 34 1.527 -13.323 -1.050 1.00 1.00 N ATOM 507 CA ASP A 34 0.089 -13.452 -0.837 1.00 1.00 C ATOM 508 C ASP A 34 -0.425 -12.420 0.158 1.00 1.00 C ATOM 509 O ASP A 34 -1.541 -11.935 0.040 1.00 1.00 O ATOM 510 CB ASP A 34 -0.273 -14.827 -0.252 1.00 1.00 C ATOM 511 CG ASP A 34 -0.422 -15.899 -1.287 1.00 1.00 C ATOM 512 OD1 ASP A 34 -0.325 -15.628 -2.500 1.00 1.00 O ATOM 513 OD2 ASP A 34 -0.605 -17.079 -0.949 1.00 1.00 O ATOM 0 H ASP A 34 2.070 -14.128 -0.739 1.00 1.00 H new ATOM 0 HA ASP A 34 -0.366 -13.310 -1.817 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.498 -15.125 0.459 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -1.205 -14.741 0.307 1.00 1.00 H new ATOM 518 N ASP A 35 0.385 -12.110 1.164 1.00 1.00 N ATOM 519 CA ASP A 35 -0.001 -11.196 2.240 1.00 1.00 C ATOM 520 C ASP A 35 0.456 -9.758 2.055 1.00 1.00 C ATOM 521 O ASP A 35 -0.284 -8.817 2.365 1.00 1.00 O ATOM 522 CB ASP A 35 0.545 -11.737 3.570 1.00 1.00 C ATOM 523 CG ASP A 35 0.176 -13.178 3.772 1.00 1.00 C ATOM 524 OD1 ASP A 35 -1.042 -13.444 3.781 1.00 1.00 O ATOM 525 OD2 ASP A 35 1.008 -14.111 3.878 1.00 1.00 O ATOM 0 H ASP A 35 1.329 -12.484 1.259 1.00 1.00 H new ATOM 0 HA ASP A 35 -1.090 -11.160 2.229 1.00 1.00 H new ATOM 0 HB2 ASP A 35 1.630 -11.632 3.588 1.00 1.00 H new ATOM 0 HB3 ASP A 35 0.153 -11.141 4.394 1.00 1.00 H new ATOM 530 N TRP A 36 1.685 -9.596 1.603 1.00 1.00 N ATOM 531 CA TRP A 36 2.268 -8.289 1.406 1.00 1.00 C ATOM 532 C TRP A 36 2.476 -8.099 -0.082 1.00 1.00 C ATOM 533 O TRP A 36 2.940 -9.020 -0.758 1.00 1.00 O ATOM 534 CB TRP A 36 3.606 -8.197 2.122 1.00 1.00 C ATOM 535 CG TRP A 36 3.475 -8.139 3.601 1.00 1.00 C ATOM 536 CD1 TRP A 36 3.267 -9.181 4.455 1.00 1.00 C ATOM 537 CD2 TRP A 36 3.483 -6.959 4.398 1.00 1.00 C ATOM 538 NE1 TRP A 36 3.168 -8.716 5.743 1.00 1.00 N ATOM 539 CE2 TRP A 36 3.312 -7.353 5.743 1.00 1.00 C ATOM 540 CE3 TRP A 36 3.681 -5.612 4.125 1.00 1.00 C ATOM 541 CZ2 TRP A 36 3.297 -6.427 6.798 1.00 1.00 C ATOM 542 CZ3 TRP A 36 3.685 -4.715 5.175 1.00 1.00 C ATOM 543 CH2 TRP A 36 3.498 -5.123 6.485 1.00 1.00 C ATOM 0 H TRP A 36 2.305 -10.369 1.363 1.00 1.00 H new ATOM 0 HA TRP A 36 1.610 -7.519 1.808 1.00 1.00 H new ATOM 0 HB2 TRP A 36 4.216 -9.059 1.851 1.00 1.00 H new ATOM 0 HB3 TRP A 36 4.136 -7.310 1.775 1.00 1.00 H new ATOM 0 HD1 TRP A 36 3.191 -10.218 4.162 1.00 1.00 H new ATOM 0 HE1 TRP A 36 3.012 -9.294 6.569 1.00 1.00 H new ATOM 0 HE3 TRP A 36 3.829 -5.272 3.111 1.00 1.00 H new ATOM 0 HZ2 TRP A 36 3.132 -6.741 7.818 1.00 1.00 H new ATOM 0 HZ3 TRP A 36 3.838 -3.666 4.969 1.00 1.00 H new ATOM 0 HH2 TRP A 36 3.513 -4.386 7.275 1.00 1.00 H new ATOM 554 N TRP A 37 2.142 -6.909 -0.579 1.00 1.00 N ATOM 555 CA TRP A 37 2.288 -6.571 -1.968 1.00 1.00 C ATOM 556 C TRP A 37 3.216 -5.379 -2.068 1.00 1.00 C ATOM 557 O TRP A 37 3.428 -4.656 -1.106 1.00 1.00 O ATOM 558 CB TRP A 37 0.960 -6.250 -2.631 1.00 1.00 C ATOM 559 CG TRP A 37 0.114 -7.464 -2.927 1.00 1.00 C ATOM 560 CD1 TRP A 37 0.561 -8.698 -3.289 1.00 1.00 C ATOM 561 CD2 TRP A 37 -1.317 -7.551 -2.905 1.00 1.00 C ATOM 562 NE1 TRP A 37 -0.501 -9.545 -3.503 1.00 1.00 N ATOM 563 CE2 TRP A 37 -1.665 -8.871 -3.266 1.00 1.00 C ATOM 564 CE3 TRP A 37 -2.335 -6.656 -2.608 1.00 1.00 C ATOM 565 CZ2 TRP A 37 -2.975 -9.302 -3.350 1.00 1.00 C ATOM 566 CZ3 TRP A 37 -3.652 -7.100 -2.710 1.00 1.00 C ATOM 567 CH2 TRP A 37 -3.948 -8.407 -3.065 1.00 1.00 C ATOM 0 H TRP A 37 1.759 -6.153 -0.011 1.00 1.00 H new ATOM 0 HA TRP A 37 2.698 -7.434 -2.492 1.00 1.00 H new ATOM 0 HB2 TRP A 37 0.397 -5.576 -1.986 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.150 -5.716 -3.562 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.600 -8.972 -3.393 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -0.431 -10.521 -3.792 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -2.113 -5.643 -2.306 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -3.213 -10.317 -3.633 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -4.459 -6.411 -2.508 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -4.981 -8.718 -3.115 1.00 1.00 H new ATOM 578 N LEU A 38 3.775 -5.199 -3.248 1.00 1.00 N ATOM 579 CA LEU A 38 4.658 -4.096 -3.534 1.00 1.00 C ATOM 580 C LEU A 38 3.915 -3.107 -4.442 1.00 1.00 C ATOM 581 O LEU A 38 3.359 -3.517 -5.460 1.00 1.00 O ATOM 582 CB LEU A 38 5.866 -4.606 -4.267 1.00 1.00 C ATOM 583 CG LEU A 38 7.073 -3.750 -4.681 1.00 1.00 C ATOM 584 CD1 LEU A 38 7.795 -3.195 -3.463 1.00 1.00 C ATOM 585 CD2 LEU A 38 8.049 -4.485 -5.558 1.00 1.00 C ATOM 0 H LEU A 38 3.625 -5.823 -4.041 1.00 1.00 H new ATOM 0 HA LEU A 38 4.966 -3.612 -2.607 1.00 1.00 H new ATOM 0 HB2 LEU A 38 6.268 -5.414 -3.656 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.490 -5.057 -5.185 1.00 1.00 H new ATOM 0 HG LEU A 38 6.665 -2.928 -5.269 1.00 1.00 H new ATOM 0 HD11 LEU A 38 8.645 -2.593 -3.786 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.110 -2.574 -2.885 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.149 -4.019 -2.843 1.00 1.00 H new ATOM 0 HD21 LEU A 38 8.877 -3.824 -5.814 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.431 -5.356 -5.026 1.00 1.00 H new ATOM 0 HD23 LEU A 38 7.547 -4.808 -6.470 1.00 1.00 H new ATOM 597 N GLY A 39 3.935 -1.830 -4.104 1.00 1.00 N ATOM 598 CA GLY A 39 3.290 -0.857 -4.952 1.00 1.00 C ATOM 599 C GLY A 39 3.985 0.483 -4.899 1.00 1.00 C ATOM 600 O GLY A 39 5.062 0.615 -4.314 1.00 1.00 O ATOM 0 H GLY A 39 4.381 -1.453 -3.268 1.00 1.00 H new ATOM 0 HA2 GLY A 39 3.280 -1.221 -5.980 1.00 1.00 H new ATOM 0 HA3 GLY A 39 2.251 -0.740 -4.645 1.00 1.00 H new ATOM 604 N GLU A 40 3.337 1.463 -5.500 1.00 1.00 N ATOM 605 CA GLU A 40 3.827 2.821 -5.580 1.00 1.00 C ATOM 606 C GLU A 40 2.705 3.784 -5.224 1.00 1.00 C ATOM 607 O GLU A 40 1.562 3.592 -5.625 1.00 1.00 O ATOM 608 CB GLU A 40 4.302 3.089 -7.000 1.00 1.00 C ATOM 609 CG GLU A 40 4.848 4.487 -7.227 1.00 1.00 C ATOM 610 CD GLU A 40 5.258 4.769 -8.662 1.00 1.00 C ATOM 611 OE1 GLU A 40 4.854 3.985 -9.550 1.00 1.00 O ATOM 612 OE2 GLU A 40 6.037 5.740 -8.878 1.00 1.00 O ATOM 0 H GLU A 40 2.434 1.331 -5.956 1.00 1.00 H new ATOM 0 HA GLU A 40 4.654 2.961 -4.883 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.076 2.365 -7.254 1.00 1.00 H new ATOM 0 HB3 GLU A 40 3.471 2.921 -7.685 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.092 5.213 -6.927 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.711 4.638 -6.578 1.00 1.00 H new ATOM 619 N LEU A 41 3.031 4.828 -4.465 1.00 1.00 N ATOM 620 CA LEU A 41 2.003 5.785 -4.092 1.00 1.00 C ATOM 621 C LEU A 41 1.636 6.706 -5.234 1.00 1.00 C ATOM 622 O LEU A 41 2.506 7.331 -5.846 1.00 1.00 O ATOM 623 CB LEU A 41 2.415 6.638 -2.912 1.00 1.00 C ATOM 624 CG LEU A 41 2.672 5.912 -1.601 1.00 1.00 C ATOM 625 CD1 LEU A 41 2.912 6.915 -0.470 1.00 1.00 C ATOM 626 CD2 LEU A 41 1.582 4.962 -1.246 1.00 1.00 C ATOM 0 H LEU A 41 3.966 5.026 -4.109 1.00 1.00 H new ATOM 0 HA LEU A 41 1.137 5.181 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 41 3.321 7.180 -3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 41 1.637 7.382 -2.742 1.00 1.00 H new ATOM 0 HG LEU A 41 3.572 5.314 -1.740 1.00 1.00 H new ATOM 0 HD11 LEU A 41 3.094 6.377 0.461 1.00 1.00 H new ATOM 0 HD12 LEU A 41 3.779 7.532 -0.708 1.00 1.00 H new ATOM 0 HD13 LEU A 41 2.034 7.551 -0.356 1.00 1.00 H new ATOM 0 HD21 LEU A 41 1.819 4.473 -0.301 1.00 1.00 H new ATOM 0 HD22 LEU A 41 0.643 5.506 -1.147 1.00 1.00 H new ATOM 0 HD23 LEU A 41 1.485 4.211 -2.030 1.00 1.00 H new ATOM 638 N GLU A 42 0.342 6.869 -5.471 1.00 1.00 N ATOM 639 CA GLU A 42 -0.100 7.854 -6.433 1.00 1.00 C ATOM 640 C GLU A 42 0.407 9.247 -6.048 1.00 1.00 C ATOM 641 O GLU A 42 0.757 10.065 -6.909 1.00 1.00 O ATOM 642 CB GLU A 42 -1.640 7.876 -6.458 1.00 1.00 C ATOM 643 CG GLU A 42 -2.206 8.943 -7.375 1.00 1.00 C ATOM 644 CD GLU A 42 -3.658 9.365 -7.091 1.00 1.00 C ATOM 645 OE1 GLU A 42 -4.182 9.144 -5.981 1.00 1.00 O ATOM 646 OE2 GLU A 42 -4.301 9.896 -8.031 1.00 1.00 O ATOM 0 H GLU A 42 -0.403 6.341 -5.018 1.00 1.00 H new ATOM 0 HA GLU A 42 0.295 7.590 -7.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.006 6.900 -6.777 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -2.011 8.041 -5.447 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -1.571 9.826 -7.310 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -2.146 8.583 -8.402 1.00 1.00 H new ATOM 653 N LYS A 43 0.414 9.558 -4.761 1.00 1.00 N ATOM 654 CA LYS A 43 0.649 10.955 -4.398 1.00 1.00 C ATOM 655 C LYS A 43 2.069 11.439 -4.530 1.00 1.00 C ATOM 656 O LYS A 43 2.299 12.647 -4.631 1.00 1.00 O ATOM 657 CB LYS A 43 0.109 11.248 -2.998 1.00 1.00 C ATOM 658 CG LYS A 43 0.914 10.637 -1.891 1.00 1.00 C ATOM 659 CD LYS A 43 0.159 10.747 -0.553 1.00 1.00 C ATOM 660 CE LYS A 43 0.961 10.247 0.609 1.00 1.00 C ATOM 661 NZ LYS A 43 0.177 10.409 1.857 1.00 1.00 N ATOM 0 H LYS A 43 0.269 8.909 -3.987 1.00 1.00 H new ATOM 0 HA LYS A 43 0.096 11.525 -5.145 1.00 1.00 H new ATOM 0 HB2 LYS A 43 0.073 12.328 -2.853 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.916 10.883 -2.932 1.00 1.00 H new ATOM 0 HG2 LYS A 43 1.117 9.590 -2.116 1.00 1.00 H new ATOM 0 HG3 LYS A 43 1.878 11.140 -1.814 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.114 11.788 -0.379 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -0.770 10.181 -0.618 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.219 9.198 0.462 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.898 10.798 0.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.734 10.062 2.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.047 11.415 1.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.706 9.864 1.785 1.00 1.00 H new ATOM 675 N ASP A 44 3.054 10.539 -4.527 1.00 1.00 N ATOM 676 CA ASP A 44 4.445 10.977 -4.535 1.00 1.00 C ATOM 677 C ASP A 44 5.416 10.097 -5.295 1.00 1.00 C ATOM 678 O ASP A 44 6.595 10.405 -5.308 1.00 1.00 O ATOM 679 CB ASP A 44 4.949 11.215 -3.101 1.00 1.00 C ATOM 680 CG ASP A 44 5.027 9.980 -2.243 1.00 1.00 C ATOM 681 OD1 ASP A 44 4.929 8.832 -2.755 1.00 1.00 O ATOM 682 OD2 ASP A 44 5.193 10.092 -1.001 1.00 1.00 O ATOM 0 H ASP A 44 2.918 9.528 -4.519 1.00 1.00 H new ATOM 0 HA ASP A 44 4.426 11.912 -5.096 1.00 1.00 H new ATOM 0 HB2 ASP A 44 5.939 11.669 -3.150 1.00 1.00 H new ATOM 0 HB3 ASP A 44 4.292 11.936 -2.615 1.00 1.00 H new ATOM 687 N GLY A 45 4.968 8.996 -5.887 1.00 1.00 N ATOM 688 CA GLY A 45 5.890 8.156 -6.631 1.00 1.00 C ATOM 689 C GLY A 45 6.772 7.259 -5.793 1.00 1.00 C ATOM 690 O GLY A 45 7.586 6.543 -6.359 1.00 1.00 O ATOM 0 H GLY A 45 4.001 8.673 -5.867 1.00 1.00 H new ATOM 0 HA2 GLY A 45 5.315 7.534 -7.317 1.00 1.00 H new ATOM 0 HA3 GLY A 45 6.527 8.797 -7.240 1.00 1.00 H new ATOM 694 N SER A 46 6.640 7.258 -4.470 1.00 1.00 N ATOM 695 CA SER A 46 7.456 6.370 -3.622 1.00 1.00 C ATOM 696 C SER A 46 6.995 4.931 -3.841 1.00 1.00 C ATOM 697 O SER A 46 5.852 4.689 -4.170 1.00 1.00 O ATOM 698 CB SER A 46 7.387 6.756 -2.148 1.00 1.00 C ATOM 699 OG SER A 46 6.100 6.702 -1.616 1.00 1.00 O ATOM 0 H SER A 46 5.986 7.851 -3.959 1.00 1.00 H new ATOM 0 HA SER A 46 8.502 6.471 -3.910 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.035 6.092 -1.577 1.00 1.00 H new ATOM 0 HB3 SER A 46 7.779 7.766 -2.027 1.00 1.00 H new ATOM 0 HG SER A 46 5.574 7.457 -1.954 1.00 1.00 H new ATOM 705 N LYS A 47 7.909 3.978 -3.677 1.00 1.00 N ATOM 706 CA LYS A 47 7.610 2.578 -3.920 1.00 1.00 C ATOM 707 C LYS A 47 8.059 1.764 -2.748 1.00 1.00 C ATOM 708 O LYS A 47 9.032 2.108 -2.070 1.00 1.00 O ATOM 709 CB LYS A 47 8.337 2.072 -5.167 1.00 1.00 C ATOM 710 CG LYS A 47 7.927 2.790 -6.424 1.00 1.00 C ATOM 711 CD LYS A 47 8.445 2.133 -7.681 1.00 1.00 C ATOM 712 CE LYS A 47 8.145 3.004 -8.893 1.00 1.00 C ATOM 713 NZ LYS A 47 8.195 2.274 -10.203 1.00 1.00 N ATOM 0 H LYS A 47 8.867 4.156 -3.375 1.00 1.00 H new ATOM 0 HA LYS A 47 6.535 2.480 -4.069 1.00 1.00 H new ATOM 0 HB2 LYS A 47 9.412 2.187 -5.025 1.00 1.00 H new ATOM 0 HB3 LYS A 47 8.143 1.006 -5.285 1.00 1.00 H new ATOM 0 HG2 LYS A 47 6.839 2.838 -6.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 8.290 3.817 -6.383 1.00 1.00 H new ATOM 0 HD2 LYS A 47 9.520 1.970 -7.598 1.00 1.00 H new ATOM 0 HD3 LYS A 47 7.983 1.154 -7.805 1.00 1.00 H new ATOM 0 HE2 LYS A 47 7.155 3.445 -8.773 1.00 1.00 H new ATOM 0 HE3 LYS A 47 8.859 3.827 -8.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 7.980 2.935 -10.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 9.145 1.875 -10.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 7.494 1.506 -10.199 1.00 1.00 H new ATOM 727 N GLY A 48 7.375 0.659 -2.491 1.00 1.00 N ATOM 728 CA GLY A 48 7.746 -0.195 -1.386 1.00 1.00 C ATOM 729 C GLY A 48 6.683 -1.209 -1.050 1.00 1.00 C ATOM 730 O GLY A 48 5.604 -1.239 -1.651 1.00 1.00 O ATOM 0 H GLY A 48 6.570 0.340 -3.029 1.00 1.00 H new ATOM 0 HA2 GLY A 48 8.673 -0.714 -1.629 1.00 1.00 H new ATOM 0 HA3 GLY A 48 7.946 0.420 -0.508 1.00 1.00 H new ATOM 734 N LEU A 49 6.995 -2.023 -0.057 1.00 1.00 N ATOM 735 CA LEU A 49 6.114 -3.055 0.422 1.00 1.00 C ATOM 736 C LEU A 49 4.957 -2.478 1.215 1.00 1.00 C ATOM 737 O LEU A 49 5.110 -1.493 1.954 1.00 1.00 O ATOM 738 CB LEU A 49 6.892 -3.998 1.335 1.00 1.00 C ATOM 739 CG LEU A 49 7.776 -5.028 0.657 1.00 1.00 C ATOM 740 CD1 LEU A 49 8.924 -4.327 -0.014 1.00 1.00 C ATOM 741 CD2 LEU A 49 8.287 -6.036 1.682 1.00 1.00 C ATOM 0 H LEU A 49 7.883 -1.979 0.442 1.00 1.00 H new ATOM 0 HA LEU A 49 5.718 -3.583 -0.446 1.00 1.00 H new ATOM 0 HB2 LEU A 49 7.516 -3.395 1.994 1.00 1.00 H new ATOM 0 HB3 LEU A 49 6.178 -4.526 1.967 1.00 1.00 H new ATOM 0 HG LEU A 49 7.200 -5.569 -0.094 1.00 1.00 H new ATOM 0 HD11 LEU A 49 9.563 -5.062 -0.503 1.00 1.00 H new ATOM 0 HD12 LEU A 49 8.539 -3.629 -0.757 1.00 1.00 H new ATOM 0 HD13 LEU A 49 9.503 -3.782 0.731 1.00 1.00 H new ATOM 0 HD21 LEU A 49 8.920 -6.771 1.185 1.00 1.00 H new ATOM 0 HD22 LEU A 49 8.865 -5.516 2.446 1.00 1.00 H new ATOM 0 HD23 LEU A 49 7.441 -6.542 2.148 1.00 1.00 H new ATOM 753 N PHE A 50 3.803 -3.125 1.106 1.00 1.00 N ATOM 754 CA PHE A 50 2.642 -2.698 1.849 1.00 1.00 C ATOM 755 C PHE A 50 1.835 -3.928 2.206 1.00 1.00 C ATOM 756 O PHE A 50 1.882 -4.927 1.465 1.00 1.00 O ATOM 757 CB PHE A 50 1.800 -1.697 1.053 1.00 1.00 C ATOM 758 CG PHE A 50 1.106 -2.290 -0.133 1.00 1.00 C ATOM 759 CD1 PHE A 50 1.714 -2.281 -1.368 1.00 1.00 C ATOM 760 CD2 PHE A 50 -0.179 -2.799 -0.055 1.00 1.00 C ATOM 761 CE1 PHE A 50 1.083 -2.784 -2.475 1.00 1.00 C ATOM 762 CE2 PHE A 50 -0.805 -3.305 -1.177 1.00 1.00 C ATOM 763 CZ PHE A 50 -0.174 -3.294 -2.391 1.00 1.00 C ATOM 0 H PHE A 50 3.654 -3.941 0.512 1.00 1.00 H new ATOM 0 HA PHE A 50 2.958 -2.182 2.756 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.054 -1.258 1.715 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.443 -0.885 0.715 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.708 -1.869 -1.466 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -0.697 -2.800 0.893 1.00 1.00 H new ATOM 0 HE1 PHE A 50 1.591 -2.775 -3.428 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.802 -3.713 -1.096 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.667 -3.685 -3.269 1.00 1.00 H new ATOM 773 N PRO A 51 1.112 -3.894 3.325 1.00 1.00 N ATOM 774 CA PRO A 51 0.328 -5.061 3.725 1.00 1.00 C ATOM 775 C PRO A 51 -0.986 -5.045 2.976 1.00 1.00 C ATOM 776 O PRO A 51 -1.719 -4.064 2.950 1.00 1.00 O ATOM 777 CB PRO A 51 0.140 -4.862 5.240 1.00 1.00 C ATOM 778 CG PRO A 51 0.196 -3.401 5.471 1.00 1.00 C ATOM 779 CD PRO A 51 1.019 -2.812 4.324 1.00 1.00 C ATOM 0 HA PRO A 51 0.793 -6.022 3.505 1.00 1.00 H new ATOM 0 HB2 PRO A 51 -0.813 -5.273 5.572 1.00 1.00 H new ATOM 0 HB3 PRO A 51 0.921 -5.376 5.801 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.806 -2.972 5.490 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.656 -3.178 6.433 1.00 1.00 H new ATOM 0 HD2 PRO A 51 0.537 -1.929 3.905 1.00 1.00 H new ATOM 0 HD3 PRO A 51 2.007 -2.504 4.665 1.00 1.00 H new ATOM 787 N SER A 52 -1.287 -6.158 2.315 1.00 1.00 N ATOM 788 CA SER A 52 -2.494 -6.241 1.507 1.00 1.00 C ATOM 789 C SER A 52 -3.785 -6.003 2.279 1.00 1.00 C ATOM 790 O SER A 52 -4.718 -5.376 1.761 1.00 1.00 O ATOM 791 CB SER A 52 -2.541 -7.596 0.822 1.00 1.00 C ATOM 792 OG SER A 52 -1.361 -7.792 0.090 1.00 1.00 O ATOM 0 H SER A 52 -0.718 -7.005 2.323 1.00 1.00 H new ATOM 0 HA SER A 52 -2.436 -5.432 0.779 1.00 1.00 H new ATOM 0 HB2 SER A 52 -2.657 -8.386 1.564 1.00 1.00 H new ATOM 0 HB3 SER A 52 -3.405 -7.651 0.160 1.00 1.00 H new ATOM 0 HG SER A 52 -1.504 -7.519 -0.840 1.00 1.00 H new ATOM 798 N ASN A 53 -3.868 -6.468 3.520 1.00 1.00 N ATOM 799 CA ASN A 53 -5.083 -6.259 4.291 1.00 1.00 C ATOM 800 C ASN A 53 -5.361 -4.775 4.606 1.00 1.00 C ATOM 801 O ASN A 53 -6.410 -4.433 5.128 1.00 1.00 O ATOM 802 CB ASN A 53 -5.073 -7.130 5.584 1.00 1.00 C ATOM 803 CG ASN A 53 -4.086 -6.579 6.698 1.00 1.00 C ATOM 804 OD1 ASN A 53 -4.396 -5.611 7.360 1.00 1.00 O ATOM 805 ND2 ASN A 53 -2.925 -7.222 6.884 1.00 1.00 N ATOM 0 H ASN A 53 -3.129 -6.979 4.002 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.911 -6.584 3.661 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -6.083 -7.176 5.992 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -4.787 -8.150 5.326 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -2.273 -6.900 7.599 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -2.694 -8.033 6.311 1.00 1.00 H new ATOM 812 N TYR A 54 -4.445 -3.866 4.283 1.00 1.00 N ATOM 813 CA TYR A 54 -4.687 -2.449 4.543 1.00 1.00 C ATOM 814 C TYR A 54 -5.311 -1.710 3.356 1.00 1.00 C ATOM 815 O TYR A 54 -5.574 -0.523 3.478 1.00 1.00 O ATOM 816 CB TYR A 54 -3.416 -1.714 4.995 1.00 1.00 C ATOM 817 CG TYR A 54 -3.146 -1.863 6.459 1.00 1.00 C ATOM 818 CD1 TYR A 54 -2.777 -3.088 7.003 1.00 1.00 C ATOM 819 CD2 TYR A 54 -3.269 -0.795 7.306 1.00 1.00 C ATOM 820 CE1 TYR A 54 -2.549 -3.228 8.357 1.00 1.00 C ATOM 821 CE2 TYR A 54 -3.041 -0.928 8.656 1.00 1.00 C ATOM 822 CZ TYR A 54 -2.684 -2.149 9.177 1.00 1.00 C ATOM 823 OH TYR A 54 -2.477 -2.263 10.540 1.00 1.00 O ATOM 0 H TYR A 54 -3.546 -4.078 3.850 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.411 -2.438 5.358 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -2.563 -2.095 4.433 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -3.510 -0.655 4.754 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.667 -3.945 6.355 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -3.550 0.169 6.908 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -2.265 -4.187 8.764 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -3.143 -0.072 9.307 1.00 1.00 H new ATOM 0 HH TYR A 54 -2.616 -1.392 10.966 1.00 1.00 H new ATOM 833 N VAL A 55 -5.514 -2.376 2.225 1.00 1.00 N ATOM 834 CA VAL A 55 -6.073 -1.724 1.039 1.00 1.00 C ATOM 835 C VAL A 55 -7.092 -2.602 0.343 1.00 1.00 C ATOM 836 O VAL A 55 -7.136 -3.818 0.536 1.00 1.00 O ATOM 837 CB VAL A 55 -4.965 -1.331 0.003 1.00 1.00 C ATOM 838 CG1 VAL A 55 -3.767 -0.676 0.683 1.00 1.00 C ATOM 839 CG2 VAL A 55 -4.517 -2.527 -0.784 1.00 1.00 C ATOM 0 H VAL A 55 -5.301 -3.366 2.101 1.00 1.00 H new ATOM 0 HA VAL A 55 -6.559 -0.819 1.402 1.00 1.00 H new ATOM 0 HB VAL A 55 -5.407 -0.606 -0.680 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.019 -0.417 -0.067 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -4.091 0.228 1.199 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -3.333 -1.370 1.403 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -3.748 -2.227 -1.496 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -4.111 -3.278 -0.106 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -5.366 -2.947 -1.323 1.00 1.00 H new ATOM 849 N SER A 56 -7.902 -1.976 -0.495 1.00 1.00 N ATOM 850 CA SER A 56 -8.904 -2.640 -1.299 1.00 1.00 C ATOM 851 C SER A 56 -8.715 -2.221 -2.758 1.00 1.00 C ATOM 852 O SER A 56 -8.594 -1.039 -3.011 1.00 1.00 O ATOM 853 CB SER A 56 -10.277 -2.228 -0.803 1.00 1.00 C ATOM 854 OG SER A 56 -10.435 -2.605 0.535 1.00 1.00 O ATOM 0 H SER A 56 -7.877 -0.966 -0.635 1.00 1.00 H new ATOM 0 HA SER A 56 -8.808 -3.723 -1.223 1.00 1.00 H new ATOM 0 HB2 SER A 56 -10.400 -1.150 -0.903 1.00 1.00 H new ATOM 0 HB3 SER A 56 -11.049 -2.695 -1.415 1.00 1.00 H new ATOM 0 HG SER A 56 -11.323 -2.334 0.849 1.00 1.00 H new ATOM 860 N LEU A 57 -8.668 -3.180 -3.685 1.00 1.00 N ATOM 861 CA LEU A 57 -8.455 -2.832 -5.100 1.00 1.00 C ATOM 862 C LEU A 57 -9.542 -1.885 -5.602 1.00 1.00 C ATOM 863 O LEU A 57 -10.712 -1.982 -5.228 1.00 1.00 O ATOM 864 CB LEU A 57 -8.374 -4.059 -5.992 1.00 1.00 C ATOM 865 CG LEU A 57 -7.296 -5.066 -5.625 1.00 1.00 C ATOM 866 CD1 LEU A 57 -7.183 -6.094 -6.746 1.00 1.00 C ATOM 867 CD2 LEU A 57 -5.953 -4.446 -5.397 1.00 1.00 C ATOM 0 H LEU A 57 -8.771 -4.177 -3.495 1.00 1.00 H new ATOM 0 HA LEU A 57 -7.492 -2.324 -5.154 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -9.340 -4.564 -5.974 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -8.206 -3.730 -7.018 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.596 -5.526 -4.683 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -6.412 -6.823 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -8.138 -6.604 -6.870 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -6.917 -5.591 -7.676 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.233 -5.222 -5.139 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.628 -3.937 -6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -6.018 -3.726 -4.581 1.00 1.00 H new ATOM 879 N GLY A 58 -9.131 -0.937 -6.434 1.00 1.00 N ATOM 880 CA GLY A 58 -10.061 0.016 -7.031 1.00 1.00 C ATOM 881 C GLY A 58 -10.581 1.045 -6.054 1.00 1.00 C ATOM 882 O GLY A 58 -10.013 1.230 -4.960 1.00 1.00 O ATOM 0 H GLY A 58 -8.158 -0.806 -6.712 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -9.565 0.528 -7.855 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -10.904 -0.529 -7.456 1.00 1.00 H new ATOM 886 N ASN A 59 -11.660 1.724 -6.464 1.00 1.00 N ATOM 887 CA ASN A 59 -12.271 2.802 -5.689 1.00 1.00 C ATOM 888 C ASN A 59 -13.203 2.258 -4.620 1.00 1.00 C ATOM 889 O ASN A 59 -14.005 3.060 -4.085 1.00 1.00 O ATOM 890 CB ASN A 59 -12.994 3.807 -6.621 1.00 1.00 C ATOM 891 CG ASN A 59 -12.391 5.199 -6.565 1.00 1.00 C ATOM 892 OD1 ASN A 59 -11.873 5.642 -5.544 1.00 1.00 O ATOM 893 ND2 ASN A 59 -12.457 5.901 -7.690 1.00 1.00 N ATOM 894 OXT ASN A 59 -13.155 1.049 -4.354 1.00 1.00 O ATOM 0 H ASN A 59 -12.133 1.537 -7.348 1.00 1.00 H new ATOM 0 HA ASN A 59 -11.475 3.340 -5.174 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -12.953 3.439 -7.646 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -14.047 3.860 -6.343 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -12.069 6.844 -7.726 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -12.896 5.498 -8.518 1.00 1.00 H new TER 901 ASN A 59